2-amino-N-[[3-(2-methylpropoxy)phenyl]methyl]pentanamide

C16H26N2O2 — CID 119304653

IUPAC2-amino-N-[[3-(2-methylpropoxy)phenyl]methyl]pentanamide
SMILESCCCC(N)C(=O)NCc1cccc(OCC(C)C)c1
InChIInChI=1S/C16H26N2O2/c1-4-6-15(17)16(19)18-10-13-7-5-8-14(9-13)20-11-12(2)3/h5,7-9,12,15H,4,6,10-11,17H2,1-3H3,(H,18,19)
InChIKeyONNDKQKUFSHZIU-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.46
Rot. Bonds8

About 2-amino-N-[[3-(2-methylpropoxy)phenyl]methyl]pentanamide

2-amino-N-[[3-(2-methylpropoxy)phenyl]methyl]pentanamide (PubChem CID 119304653) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 2-amino-N-[[3-(2-methylpropoxy)phenyl]methyl]pentanamide.

Molecular Properties

Compound Name2-amino-N-[[3-(2-methylpropoxy)phenyl]methyl]pentanamide
PubChem CID119304653
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name2-amino-N-[[3-(2-methylpropoxy)phenyl]methyl]pentanamide
SMILESCCCC(N)C(=O)NCc1cccc(OCC(C)C)c1
InChIInChI=1S/C16H26N2O2/c1-4-6-15(17)16(19)18-10-13-7-5-8-14(9-13)20-11-12(2)3/h5,7-9,12,15H,4,6,10-11,17H2,1-3H3,(H,18,19)
InChIKeyONNDKQKUFSHZIU-UHFFFAOYSA-N
XLogP2.46
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-[[3-(2,2-difluoroethoxy)phenyl]methyl]pentanamide
CID 119315367
2-amino-N-[(3-ethoxyphenyl)methyl]pentanamide
CID 60872985
(2S)-2-amino-N-[(3-methoxyphenyl)methyl]pentanamide
CID 107568769
(2S)-2-amino-N-[3-(2-methylpropoxy)phenyl]pentanamide
CID 93360101
2-amino-2-(4-methylphenyl)-N-[[3-(2-methylpropoxy)phenyl]methyl]acetamide
CID 120667859
2-amino-N-[(3-methylphenyl)methyl]pentanamide;hydrochloride
CID 119281680
2-amino-N-benzylpentanamide
CID 11020044
2-chloro-N-[[3-(2-methylpropoxy)phenyl]methyl]acetamide
CID 166403692
3-[[[(2R)-2-aminopentanoyl]amino]methyl]benzamide
CID 103795148
(2S)-2-amino-N-[[3-[2-(ethylamino)-2-oxoethoxy]phenyl]methyl]-4-methylpentanamide
CID 119740412
2-amino-N-[[3-(2-methylpropoxy)phenyl]methyl]-2-(oxan-4-yl)acetamide
CID 120789950
3-amino-N-[(3-ethoxyphenyl)methyl]-2-methylpropanamide
CID 62671028

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[[3-(2-methylpropoxy)phenyl]methyl]pentanamide?
The IUPAC name of 2-amino-N-[[3-(2-methylpropoxy)phenyl]methyl]pentanamide (CID 119304653) is 2-amino-N-[[3-(2-methylpropoxy)phenyl]methyl]pentanamide.
What is the SMILES notation for 2-amino-N-[[3-(2-methylpropoxy)phenyl]methyl]pentanamide?
The canonical SMILES for 2-amino-N-[[3-(2-methylpropoxy)phenyl]methyl]pentanamide is CCCC(N)C(=O)NCc1cccc(OCC(C)C)c1.
What is the InChIKey of 2-amino-N-[[3-(2-methylpropoxy)phenyl]methyl]pentanamide?
The InChIKey is ONNDKQKUFSHZIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-4-6-15(17)16(19)18-10-13-7-5-8-14(9-13)20-11-12(2)3/h5,7-9,12,15H,4,6,10-11,17H2,1-3H3,(H,18,19).
What are the key properties of 2-amino-N-[[3-(2-methylpropoxy)phenyl]methyl]pentanamide?
2-amino-N-[[3-(2-methylpropoxy)phenyl]methyl]pentanamide has a molecular weight of 278.40 g/mol, XLogP of 2.46, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[[3-(2-methylpropoxy)phenyl]methyl]pentanamide is sourced from PubChem (CID 119304653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).